(E)-1-[4-(1-benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]-3-phenyl-prop-2-en-1-one

Systemtic Name: (E)-1-[4-(1-benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]-3-phenyl-prop-2-en-1-one Openeye Name: (E)-1-[4-(benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]-3-phenyl-prop-2-en-1-one CAS Name: (E)-1-[4-(1-benzothiophen-3-ylmethyl)-1-piperazin-4-iumyl]-3-phenyl-2-propen-1-one IUPAC Name: (E)-1-[4-(1-benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]-3-phenylprop-2-en-1-one Traditional Name: (E)-1-[4-(benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]-3-phenyl-prop-2-en-1-one Formula: C22H23N2OS+ MolecularWeight: 363.49582

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC3=CC=CC=C32)C(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC3=CC=CC=C32)C(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C22H22N2OS/c25-22(11-10-18-6-2-1-3-7-18)24-14-12-23(13-15-24)16-19-17-26-21-9-5-4-8-20(19)21/h1-11,17H,12-16H2/p+1/b11-10+